1,1-bis(iodomethyl)cyclobutane

• ChemBase ID: 65390
• Molecular Formular: C6H10I2
• Molecular Mass: 335.95254
• Monoisotopic Mass: 335.88719632
• SMILES: C1C(CC1)(CI)CI
• Canonical SMILES: ICC1(CI)CCC1
• InChI: InChI=1S/C6H10I2/c7-4-6(5-8)2-1-3-6/h1-5H2
• InChIKey: LDIPTYNQUAFCAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-bis(iodomethyl)cyclobutane
• IUPAC Traditional name: 1,1-bis(iodomethyl)cyclobutane
• Synonyms: 1,1-Bis(iodomethyl)cyclobutane

Database IDs

• CAS Number: 65478-57-1
• MDL Number: MFCD18839256
• PubChem SID: 162031129
• PubChem CID: 12458131

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7445283
• LogD (pH = 7.4): 3.7445283
• Log P: 3.7445283
• Molar Refractivity: 53.5435 cm^3
• Polarizability: 21.446835 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%